N'-[C-[(Z)-2-amino-4-methylpent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene

C35H55N5OS — CID 165143048

IUPACN'-[C-[(Z)-2-amino-4-methylpent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene
SMILESC/C=C(\C)C(=O)N1CCc2c(/C(N)=N/C(/C=C(\N)CC(C)C)=N/C)csc2C1.CCC(C)=C(C)/C=C\C=C/C(C)CC
InChIInChI=1S/C21H31N5OS.C14H24/c1-6-14(4)21(27)26-8-7-16-17(12-28-18(16)11-26)20(23)25-19(24-5)10-15(22)9-13(2)3;1-6-12(3)10-8-9-11-14(5)13(4)7-2/h6,10,12-13H,7-9,11,22H2,1-5H3,(H2,23,24,25);8-12H,6-7H2,1-5H3/b14-6+,15-10-;10-8-,11-9-,14-13?
InChIKeyZRYWKSGKEWKVGW-CCODIZGBSA-N
MW593.93 g/mol
LogP8.11
Rot. Bonds10

About N'-[C-[(Z)-2-amino-4-methylpent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene

N'-[C-[(Z)-2-amino-4-methylpent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene (PubChem CID 165143048) has the molecular formula C35H55N5OS and a molecular weight of 593.93 g/mol. Its IUPAC name is N'-[C-[(Z)-2-amino-4-methylpent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene.

Molecular Properties

Compound NameN'-[C-[(Z)-2-amino-4-methylpent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene
PubChem CID165143048
Molecular FormulaC35H55N5OS
Molecular Weight593.93 g/mol
Exact Mass593.41
IUPAC NameN'-[C-[(Z)-2-amino-4-methylpent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene
SMILESC/C=C(\C)C(=O)N1CCc2c(/C(N)=N/C(/C=C(\N)CC(C)C)=N/C)csc2C1.CCC(C)=C(C)/C=C\C=C/C(C)CC
InChIInChI=1S/C21H31N5OS.C14H24/c1-6-14(4)21(27)26-8-7-16-17(12-28-18(16)11-26)20(23)25-19(24-5)10-15(22)9-13(2)3;1-6-12(3)10-8-9-11-14(5)13(4)7-2/h6,10,12-13H,7-9,11,22H2,1-5H3,(H2,23,24,25);8-12H,6-7H2,1-5H3/b14-6+,15-10-;10-8-,11-9-,14-13?
InChIKeyZRYWKSGKEWKVGW-CCODIZGBSA-N
XLogP8.11
TPSA97.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.93
LogP ≤ 58.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N'-[C-[(Z)-2-amino-4-methylpent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[C-[(Z)-2-amino-4-methylpent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene?
The IUPAC name of N'-[C-[(Z)-2-amino-4-methylpent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene (CID 165143048) is N'-[C-[(Z)-2-amino-4-methylpent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene.
What is the SMILES notation for N'-[C-[(Z)-2-amino-4-methylpent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene?
The canonical SMILES for N'-[C-[(Z)-2-amino-4-methylpent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene is C/C=C(\C)C(=O)N1CCc2c(/C(N)=N/C(/C=C(\N)CC(C)C)=N/C)csc2C1.CCC(C)=C(C)/C=C\C=C/C(C)CC.
What is the InChIKey of N'-[C-[(Z)-2-amino-4-methylpent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene?
The InChIKey is ZRYWKSGKEWKVGW-CCODIZGBSA-N. The full InChI is InChI=1S/C21H31N5OS.C14H24/c1-6-14(4)21(27)26-8-7-16-17(12-28-18(16)11-26)20(23)25-19(24-5)10-15(22)9-13(2)3;1-6-12(3)10-8-9-11-14(5)13(4)7-2/h6,10,12-13H,7-9,11,22H2,1-5H3,(H2,23,24,25);8-12H,6-7H2,1-5H3/b14-6+,15-10-;10-8-,11-9-,14-13?.
What are the key properties of N'-[C-[(Z)-2-amino-4-methylpent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene?
N'-[C-[(Z)-2-amino-4-methylpent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene has a molecular weight of 593.93 g/mol, XLogP of 8.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[C-[(Z)-2-amino-4-methylpent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide;(5Z,7Z)-3,4,9-trimethylundeca-3,5,7-triene is sourced from PubChem (CID 165143048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).